Chemical Properties of Cuparenal (CAS 16982-01-7)

InChI

InChI=1S/C15H20O/c1-14(2)9-4-10-15(14,3)13-7-5-12(11-16)6-8-13/h5-8,11H,4,9-10H2,1-3H3

InChI Key

KJYANGWERYBSJY-UHFFFAOYSA-N

Formula

C15H20O

SMILES

CC1(C)CCCC1(C)c1ccc(C=O)cc1

Molecular Weight¹

216.32

CAS

16982-01-7

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.4491		Relay (1.0) Calculated Property
ΔfG°	96.54	kJ/mol	Joback Calculated Property
ΔfH°gas	-171.18	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	12.96	kJ/mol	Joback Calculated Property
ΔvapH°	77.49	kJ/mol	Relay (1.0) Calculated Property
IE	9.05	eV	Relay (1.0) Calculated Property
log10WS	-4.22		Relay (1.0) Calculated Property
logPoct/wat	3.967		Crippen Calculated Property
McVol	189.160	ml/mol	McGowan Calculated Property
Pc	2424.27	kPa	Joback Calculated Property
Inp	[1775.00; 1775.00]
Inp	1775.00		NIST
Inp	1775.00		NIST
Tboil	577.38	K	Relay (1.0) Calculated Property
Tc	828.03	K	Relay (1.0) Calculated Property
Tfus	395.34	K	Relay (1.0) Calculated Property
Vc	0.653	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[504.04; 609.38]	J/mol×K	[634.01; 874.13]
Cp,gas	504.04	J/mol×K	634.01	Joback Calculated Property
Cp,gas	523.19	J/mol×K	674.03	Joback Calculated Property
Cp,gas	541.31	J/mol×K	714.05	Joback Calculated Property
Cp,gas	558.70	J/mol×K	754.07	Joback Calculated Property
Cp,gas	575.64	J/mol×K	794.09	Joback Calculated Property
Cp,gas	592.43	J/mol×K	834.11	Joback Calculated Property
Cp,gas	609.38	J/mol×K	874.13	Joback Calculated Property

Similar Compounds

Find more compounds similar to Cuparenal.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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